Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7661252 | 0.90 | ADORA1 (0.47) | KMT2AMEN1ADORA1ADORA2AADORA2B | |
| SCHEMBL7657404 | 0.88 | TSHR (0.46) | KMT2AMEN1TSHRADORA1ADORA2A | |
| SCHEMBL8560002 | 0.83 | ADORA1 (0.58) | KMT2AMEN1ADORA1ADORA2AADORA2B | |
| SCHEMBL7001583 | 0.81 | ADORA2A (0.49) | KMT2AMEN1ADORA2AADORA2BADORA3 | |
| SCHEMBL8836691 | 0.76 | ADORA1 (0.79) | KMT2AMEN1TSHRADORA1ADORA2A | |
| SCHEMBL7666682 | 0.75 | ADORA3 (0.50) | KMT2AMEN1TSHRADORA1ADORA2A | |
| SCHEMBL10815381 | 0.74 | ADORA1 (0.67) | KMT2AMEN1TSHRADORA1 | |
| SCHEMBL7666680 | 0.72 | ADORA3 (0.47) | KMT2AMEN1TSHRADORA1ADORA2A | |
| SCHEMBL7670431 | 0.71 | ADORA2B (0.54) | KMT2AMEN1TSHRADORA1ADORA2A | |
| SCHEMBL8560750 | 0.70 | PDE4A (0.52) | ADORA1ADORA2AADORA2BADORA3HSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |